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    Also known as: 606-04-2, Pamabrom [usan:usp], Ua8u0kjm72, 606-04-2 (salt), 8-bromotheophylline compound with 2-amino-2-methyl-1-propanol (1:1), 8-bromo-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione compound with 2-amino-2-methylpropan-1-ol (1:1)
    Molecular Formula
    C11H18BrN5O3
    Molecular Weight
    348.20  g/mol
    InChI Key
    ATOTUUBRFJHZQG-UHFFFAOYSA-N
    FDA UNII
    UA8U0KJM72
    Pamabrom
    Pamabrom is a mixture containing 2-amino-2-methyl-1-propanol and 8-bromotheophylline (a methylxanthine) in a 1:1 ratio, with mild diuretic activity.
    1 2D Structure

    Pamabrom

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-amino-2-methylpropan-1-ol;8-bromo-1,3-dimethyl-7H-purine-2,6-dione
    2.1.2 InChI
    InChI=1S/C7H7BrN4O2.C4H11NO/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14;1-4(2,5)3-6/h1-2H3,(H,9,10);6H,3,5H2,1-2H3
    2.1.3 InChI Key
    ATOTUUBRFJHZQG-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C)(CO)N.CN1C2=C(C(=O)N(C1=O)C)NC(=N2)Br
    2.2 Other Identifiers
    2.2.1 UNII
    UA8U0KJM72
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 2-amino-2-methyl-1-propanol-8-bromotheophyllinate

    2. Maximum Strength Aqua-ban

    2.3.2 Depositor-Supplied Synonyms

    1. 606-04-2

    2. Pamabrom [usan:usp]

    3. Ua8u0kjm72

    4. 606-04-2 (salt)

    5. 8-bromotheophylline Compound With 2-amino-2-methyl-1-propanol (1:1)

    6. 8-bromo-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione Compound With 2-amino-2-methylpropan-1-ol (1:1)

    7. 2-amino-2-methylpropan-1-ol;8-bromo-1,3-dimethyl-7h-purine-2,6-dione

    8. 8-bromo-3,7-dihydro-1,3-dimethyl-1h-purine-2,6-dione Compound With 2-amino-2-methyl-1-propanol (1:1)

    9. Pamabrom [usan]

    10. 2-amino-2-methylpropanol 8-bromotheophyllinate

    11. Unii-ua8u0kjm72

    12. Backaid

    13. Pamabrom (usp)

    14. Einecs 210-103-4

    15. Pamabrom [mi]

    16. Pamabrom [vandf]

    17. Pamabrom [mart.]

    18. Pamabrom [who-dd]

    19. Schembl92712

    20. Chembl2104825

    21. Pamabrom [usp Monograph]

    22. Dtxsid80209397

    23. Mfcd00867328

    24. S5555

    25. Akos016339632

    26. Ccg-213575

    27. Cs-1106

    28. Db11106

    29. Ks-5228

    30. As-11777

    31. Hy-17391

    32. Db-053667

    33. Ft-0603488

    34. P2359

    35. D08962

    36. T72689

    37. 8-bromotheophylline 2-amino-2-methyl-1-propanol

    38. 606p042

    39. A832802

    40. Q7129023

    41. 8-bromo-1,3-dimethyl-3,9-dihydro-purine-2,6-dione

    42. 2-amino-2-methylpropanol-1-8-bromotheophyllinate

    43. 8-bromo-1,3-dimethyl-1h-purine-2,6(3h,7h)-dione Compound With 2-amino-2-methylpropan-1-ol (1:1)

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 348.20 g/mol
    Molecular Formula C11H18BrN5O3
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count1
    Exact Mass347.05930 g/mol
    Monoisotopic Mass347.05930 g/mol
    Topological Polar Surface Area116 Ų
    Heavy Atom Count20
    Formal Charge0
    Complexity340
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2

    API Reference Price

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    23-Mar-2021
    28-Sep-2024
    KGS
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    Average Price (USD/KGS)

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